BIAdb Higenamine 2275
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2275 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2275 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Higenamine 2275
| |
| Systematic (IUPAC) name | |
| (1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H17NO3 |
| Mol. mass | 271.31108 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Aconitum japonicum
[edit] Function
Thromboxane A(2) antagonist
[edit] General Properties
*Molecular Weight
271.31108
*Exact Mass
271.120843
*Molecular Formula
C16H17NO3
*IUPAC NAME
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
*Canonical Smiles
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
*Isomeric Smiles
C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
*XLogP
2.2
*Hydrogen bond donor
4
*Hydrogen bond acceptor
4
*Rotational Bond Count
2
*Topological Polar Surface Area
72.7
